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ENAMINE-ZINC03222933

 MMsINC code: MMs01314518
Type: Neutral
Formula: C13H19NO4
SMILES:   o1cccc1C(OCC(=O)N(C(C)C)C(C)C)=O
InChI:   InChI=1/C13H19NO4/c1-9(2)14(10(3)4)12(15)8-18-13(16)11-6-5-7-17-11/h5-7,9-10H,8H2,1-4H3

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Potential Energy
Epot(MMFF94)=83.5887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.298 g/mol  logS: -2.8936  SlogP: 2.0818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823942  Sterimol/B1: 2.39489  Sterimol/B2: 2.97565  Sterimol/B3: 5.04061
  Sterimol/B4: 5.3666  Sterimol/L: 15.0907 
 
 Surface and Volume Properties
  Accessible surface: 491.929  Positive charged surface: 280.946  Negative charged surface: 210.983  Volume: 249.375
  Hydrophobic surface: 334.65  Hydrophilic surface: 157.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.